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Preventing iron(II) precipitation in aqueous systems using Polyacrylic acid: some molecular insights

Abstract

We present Molecular Dynamics simulations of aqueous iron(II) systems in the presence of polyacrylic acid (PAA) under extreme conditions that take place in the secondary coolant circuit of nuclear power plant. The aim of this work is to understand how the oligomer can prevent iron(II) deposit and to provide molecular interpretation. We show how, to this purpose, not only the complexant ability is necessary but also the chain length compared to iron(II) concentration. When the chain is long enough, a hyper-complexation phenomenon occurs that can explain the specific capacity of the polymer to prevent iron(II) to precipitate.

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Publication details

The article was accepted on 06 Jun 2018 and first published on 06 Jun 2018


Article type: Paper
DOI: 10.1039/C7CP02743E
Citation: Phys. Chem. Chem. Phys., 2018, Accepted Manuscript
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    Preventing iron(II) precipitation in aqueous systems using Polyacrylic acid: some molecular insights

    P. Artola, B. Rousseau, C. Clavaguera, M. Roy, D. You and G. Plancque, Phys. Chem. Chem. Phys., 2018, Accepted Manuscript , DOI: 10.1039/C7CP02743E

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